3-phenylpropyl 5-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H33N3O5S2 MolecularWeight: 567.71942

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O5S2/c1-32(22-24-12-6-3-7-13-24)39(35,36)26-19-17-25(18-20-26)30-29(38)31-27(33)15-8-16-28(34)37-21-9-14-23-10-4-2-5-11-23/h2-7,10-13,17-20H,8-9,14-16,21-22H2,1H3,(H2,30,31,33,38)